NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.4174 8.3033 118.8124 56.3338 31.9456 177.8321 4 K 4.2684 8.0911 120.9381 57.5208 31.9834 174.1453 5 V 3.6773 8.6827 119.3894 66.0774 32.0181 177.4559 6 E 4.0830 8.2649 117.8702 59.6519 29.2533 179.1149 7 E 4.0619 8.7079 118.9178 58.9082 29.3078 179.3083 8 W 3.9740 8.3139 128.6949 60.3806 30.8159 178.1139 9 I 3.6511 8.0419 119.8322 64.2814 36.5888 178.3063 10 K 3.8182 8.0274 120.1194 59.5368 31.8416 178.7034 11 A 3.9124 7.7419 119.5788 54.4470 18.3053 178.7856 12 R 4.0136 7.1018 114.0238 54.9660 30.5753 176.6956 13 G 3.7682 7.4126 106.7038 46.4270 0.0000 174.1666 14 L 4.2444 7.2876 118.9451 53.7206 42.6697 177.0252 15 T 4.4602 8.1516 108.8315 61.4540 69.1652 175.0815 16 W 4.8682 8.0106 121.8021 57.7567 30.0076 175.4378 17 R 4.9087 8.9415 119.8643 54.6471 34.4511 174.0084 18 L 5.1546 8.6276 121.0298 53.4328 43.4314 175.8391 19 L 4.7392 9.2461 124.2012 53.3983 44.1956 176.3585 20 I 4.9078 7.8888 123.5325 59.2659 39.7230 174.3360 *22 Q 4.3736 8.6267 120.2923 56.1188 30.4983 176.5975 23 K 4.6748 7.6493 115.0461 53.2393 35.0667 174.1339 24 P 4.3771 0.0000 0.0000 62.9292 31.8069 176.2887 25 T 4.3072 8.2414 110.8782 61.7387 69.6358 174.6015 26 R 4.4872 8.7070 121.2486 56.7500 31.7544 176.8619 27 T 4.7396 7.3074 107.4668 58.9418 73.1989 174.7082 28 V 3.5744 8.3135 120.6255 65.9287 31.5704 177.9584 29 A 4.0271 7.9592 120.2050 55.1978 18.2220 179.0575 30 E 3.8295 8.1729 117.4778 59.3270 29.7682 178.8651 31 A 3.9123 7.9628 120.5240 55.0297 18.4113 179.4835 32 A 3.8398 8.3122 119.3704 55.1799 18.6069 179.7128 33 A 3.8932 8.0587 119.2828 55.4273 18.2790 179.9649 34 L 3.9703 7.8985 116.1301 57.1581 41.7415 178.7522 35 L 4.2950 7.5195 116.1764 53.6823 41.9831 176.9679 36 G 3.8440 7.6524 106.5123 46.5098 0.0000 173.6773 37 V 4.5942 7.5992 114.4443 59.2894 34.8989 175.1142 38 S 4.7677 8.5822 114.8097 57.0102 65.1532 175.0044 39 E 4.0246 8.5676 120.2096 59.3730 29.3049 179.7172 40 S 4.3184 7.5100 112.0911 60.4778 63.2578 174.7607 41 E 4.1831 8.1827 119.9252 56.7003 29.8462 175.2352 42 I 4.8361 7.7072 121.5280 60.0462 38.3094 175.0512 43 V 4.7445 8.7208 121.7558 59.5363 34.1208 175.3431 44 K 4.5794 8.6631 123.1135 55.5437 35.3707 175.4931 45 T 4.5576 8.4696 119.8646 62.4591 69.2658 173.7172 46 L 4.6094 8.8588 128.0853 53.2715 43.8657 176.1004 47 I 4.7300 8.2999 124.5456 60.5400 38.8932 174.8398 48 V 4.8506 9.0933 126.8842 61.0188 34.8584 174.0240 49 L 5.4752 9.1550 126.9876 53.1085 44.9484 176.0622 50 D 5.3184 8.8431 123.3383 51.6322 42.4028 176.2407 51 N 4.9383 8.3414 113.7777 52.9956 37.1058 175.0235 52 A 4.6361 8.5813 121.1542 52.5189 19.5492 178.1207 53 G 3.9439 8.7525 107.3347 46.7353 0.0000 174.7951 54 G 3.9717 7.9124 107.2191 45.1793 0.0000 173.1145 55 V 5.0427 7.8592 121.9637 61.0389 35.0078 173.7200 56 Y 5.2819 9.4408 124.4878 56.0847 42.2014 174.2450 57 A 5.1006 9.1583 124.1899 50.2515 21.8293 175.3982 58 V 4.6816 8.9571 123.6273 61.3066 34.2488 174.5443 59 V 4.8319 8.8382 129.7552 61.7457 32.7939 174.7432 60 I 5.0262 8.4227 120.8105 58.0839 41.7427 173.0958 61 P 4.6158 0.0000 0.0000 62.5887 31.8035 178.1832 62 G 3.6251 8.5270 112.0805 48.0878 0.0000 174.1393 63 D 4.7371 7.9926 117.7703 52.8752 39.5663 175.4394 64 K 4.7000 7.7624 118.0858 55.0488 35.8929 174.8450 65 R 4.7992 7.9153 117.2009 53.8698 34.4002 175.0372 66 L 4.3217 8.4411 122.7167 55.4651 42.9123 176.2857 67 N 4.7060 8.8405 126.0850 52.2923 38.1262 174.4983 68 I 3.8052 8.4658 127.3313 64.3461 37.7878 177.3878 69 N 4.4014 8.3470 118.1486 56.9005 39.0170 177.5585 70 S 4.0194 8.2306 112.3521 58.7666 62.3120 176.0596 *72 K 4.3879 8.0888 123.0757 56.6626 33.6860 177.6880 73 E 3.9211 8.1615 117.3118 59.3326 29.6443 178.1404 74 L 4.0100 7.9597 119.2937 58.0235 42.2385 178.0937 75 A 3.9808 7.7631 119.9277 53.2979 18.4582 178.4403 76 G 3.9748 9.1809 102.4331 45.6934 0.0000 173.0940 77 K 4.6694 7.3506 117.2188 53.6663 36.3657 173.5392 78 P 4.5370 0.0000 0.0000 63.3048 32.3050 175.9353 79 V 5.0855 8.1458 115.4589 60.1030 36.2456 174.1718 80 R 4.6631 8.6567 117.0027 55.1359 33.1539 174.1117 81 L 4.5963 8.3942 119.5926 54.2554 42.4070 177.1561 82 A 4.3234 8.6514 125.5819 51.9952 19.1137 177.9466 83 R 4.1583 9.6727 120.4817 55.3320 31.4981 177.6640 84 A 4.0026 8.7572 121.7832 55.7581 18.1584 179.9492 85 N 4.3633 8.1216 114.7783 56.1111 37.4312 177.2816 86 E 4.1613 8.0106 120.5309 58.9534 29.7538 179.0392 87 V 3.5845 8.0112 118.5869 66.1156 31.5143 178.3216 88 V 3.9287 7.5854 118.6309 65.4169 31.1708 177.5098 89 E 3.8904 7.9882 117.7767 59.4240 29.6440 178.5072 90 L 4.2291 8.2594 117.5151 56.5598 41.8690 178.2824 91 T 4.5208 7.8996 108.0435 60.8579 70.2032 175.7061 92 G 3.7398 8.4476 108.3301 45.2479 0.0000 172.3231 93 Y 4.8252 7.6992 116.9465 54.8115 41.3235 173.5800 94 P 4.4509 0.0000 0.0000 62.5321 32.4331 177.5268 95 V 3.4582 8.5104 121.3326 66.3591 31.4417 177.2105 96 G 4.2855 8.8266 106.3752 44.8055 0.0000 174.0925 97 G 4.1115 8.6781 107.1146 44.7997 0.0000 172.9022 98 V 3.6498 7.8927 120.8598 61.9219 31.6392 174.0060 99 P 5.0117 0.0000 0.0000 60.8434 32.2877 174.1160 100 P 4.3959 0.0000 0.0000 62.9596 31.4496 175.4810 101 V 3.8954 6.2512 111.4412 60.0792 35.3851 174.3610 102 A 3.7441 7.7054 119.8801 53.4455 15.6973 177.6891 103 L 4.7605 6.8858 115.3818 53.8526 43.7715 175.1809 104 P 4.3830 0.0000 0.0000 62.2256 31.5875 176.0907 105 P 4.4644 0.0000 0.0000 64.6649 31.2495 176.9064 106 N 4.4717 7.9393 115.8116 54.7697 37.9425 175.2051 107 I 4.0931 7.4399 121.0383 61.0095 37.9165 175.7047 108 V 4.0315 8.4860 128.0947 61.8328 33.0837 174.4125 109 L 4.9565 8.5038 130.0731 54.2885 43.8201 175.1408 110 V 4.9074 8.9926 125.6876 61.0702 35.0879 174.0508 111 V 4.6786 8.7520 127.5507 60.7401 34.4683 174.0594 112 D 5.0834 8.9848 128.7377 54.1387 41.7350 177.4618 113 R 4.0222 9.0981 122.8194 58.7601 29.7040 178.5799 114 I 3.6971 8.2954 118.7816 63.3534 38.2881 176.4904 115 L 4.2493 7.9779 119.3729 56.1319 41.8998 178.8678 116 L 4.0549 7.8005 118.9882 57.4465 41.5826 178.4301 117 S 4.2631 7.9152 111.2132 59.4330 63.5833 173.9512 118 R 4.1654 7.5374 122.6311 55.4556 30.3706 176.3900 119 K 4.1032 8.6015 125.0001 58.5734 32.5434 176.7306 120 K 4.4909 7.5358 118.3934 54.6337 35.1410 175.8119 121 V 4.2653 7.8714 119.0369 59.6886 36.9436 173.8448 122 Y 4.8244 8.9321 118.9515 56.7447 40.9698 175.3011 123 G 4.7174 9.1493 114.7677 44.0264 0.0000 171.5652 124 G 4.2301 8.1303 106.7735 45.8950 0.0000 174.5871 125 G 4.0946 8.6961 110.8748 45.8155 0.0000 174.5842 126 G 4.1917 9.1946 109.3005 45.1538 0.0000 174.1301 127 R 4.8174 7.5531 117.0412 54.1730 34.4282 175.7769 128 E 4.0101 8.9416 119.6426 59.0534 29.6980 178.4204 129 N 4.9163 8.2098 113.8498 52.1126 38.0084 173.3141 130 A 5.0694 8.0436 121.0352 50.4612 22.2891 175.5824 131 L 5.1751 9.1237 122.0700 52.8178 45.1519 175.3411 132 L 4.9344 8.9238 125.9395 53.8095 43.8543 174.7942 133 E 4.6978 9.5057 129.4376 55.2953 30.7761 175.0467 134 F 4.3893 8.1992 121.2446 55.4288 42.2988 172.7518 135 S 4.8184 7.8170 113.3262 55.5557 63.5076 172.6604 136 P 4.4058 0.0000 0.0000 65.9963 31.1092 178.8327 137 R 3.9937 8.0016 116.1986 59.4317 29.9780 178.8682 138 E 4.1563 8.4817 118.4074 59.1500 29.3977 179.1973 139 L 4.4740 8.4956 120.6977 58.2977 42.1865 179.1671 140 V 3.6515 8.1629 118.3368 66.1218 31.2894 177.5947 141 E 3.9583 8.3770 117.6906 59.3050 29.5806 178.3967 142 A 4.2175 8.4308 120.0741 54.1772 18.5510 178.5308 143 T 4.6233 7.8079 105.6664 60.6392 70.3017 175.3888 144 G 3.8615 8.2926 109.0800 45.7617 0.0000 173.4005 145 A 4.2598 7.5768 120.1704 52.2161 19.2205 178.3952 146 V 3.8137 8.3735 120.7554 62.7251 32.7881 175.0319 147 V 4.7468 8.4191 127.9183 61.8851 32.7405 174.4984 148 A 4.6249 8.7942 128.1558 51.2183 23.6309 174.4956 149 D 4.9135 8.6351 118.8945 52.9185 41.3354 176.6689 150 V 4.6092 9.1960 116.3968 60.5130 33.9235 175.2967 151 S 5.3653 8.2060 114.4458 56.6448 66.2725 173.6943 152 E 4.3028 8.8487 118.0884 56.8862 29.0454 174.8573 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 3 E 8.30 4.42 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 4 K 8.09 4.27 0.00 2.13 2.07 0.00 1.95 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.47 7.81 5 V 8.68 3.68 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.88 0.00 0.00 6 E 8.26 4.08 0.00 2.26 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 7 E 8.71 4.06 0.00 2.22 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.60 0.00 8 W 8.31 3.97 0.00 3.59 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.04 3.65 2.15 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.06 0.99 0.00 0.00 10 K 8.03 3.82 0.00 1.84 1.92 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.43 7.81 11 A 7.74 3.91 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 R 7.10 4.01 0.00 1.03 1.43 0.00 2.97 0.00 0.00 2.66 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 13 G 7.41 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.29 4.24 0.00 1.05 0.81 -0.13 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.15 4.46 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 16 W 8.01 4.87 0.00 3.38 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.94 4.91 0.00 1.85 1.85 0.00 3.17 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 18 L 8.63 5.15 0.00 1.59 1.66 1.02 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 19 L 9.25 4.74 0.00 1.59 1.57 1.05 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.89 4.91 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.83 0.98 0.00 0.00 *22 Q 8.63 4.37 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.69 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 23 K 7.65 4.67 0.00 1.73 1.66 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.37 7.81 24 P 0.00 4.38 0.00 2.18 2.13 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 25 T 8.24 4.31 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 26 R 8.71 4.49 0.00 1.81 1.99 0.00 3.11 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 27 T 7.31 4.74 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 28 V 8.31 3.57 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.93 0.00 0.00 29 A 7.96 4.03 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.17 3.83 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 31 A 7.96 3.91 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.31 3.84 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.06 3.89 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 7.90 3.97 0.00 1.57 1.69 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.52 4.30 0.00 1.38 1.18 0.20 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 36 G 7.65 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 V 7.60 4.59 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.89 0.00 0.00 38 S 8.58 4.77 0.00 3.97 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.57 4.02 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.29 0.00 40 S 7.51 4.32 0.00 4.07 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.18 4.18 0.00 2.28 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 42 I 7.71 4.84 1.98 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.81 0.93 0.00 0.00 43 V 8.72 4.74 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 1.02 0.00 0.00 44 K 8.66 4.58 0.00 1.82 1.90 0.00 1.29 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.38 7.81 45 T 8.47 4.56 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 46 L 8.86 4.61 0.00 1.57 1.58 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 47 I 8.30 4.73 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.94 0.95 0.00 0.00 48 V 9.09 4.85 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.94 0.00 0.00 49 L 9.16 5.48 0.00 1.60 1.56 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 50 D 8.84 5.32 0.00 2.99 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 N 8.34 4.94 0.00 2.82 2.96 0.00 0.00 6.70 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.58 4.64 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.75 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 7.91 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 7.86 5.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.90 0.00 0.00 56 Y 9.44 5.28 0.00 2.91 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 9.16 5.10 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.96 4.68 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.95 0.00 0.00 59 V 8.84 4.83 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.91 0.00 0.00 60 I 8.42 5.03 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.71 0.91 0.00 0.00 61 P 0.00 4.62 0.00 2.17 1.99 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 62 G 8.53 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.99 4.74 0.00 2.78 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.76 4.70 0.00 1.74 1.72 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.34 1.50 7.81 65 R 7.92 4.80 0.00 1.71 1.77 0.00 3.12 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 66 L 8.44 4.32 0.00 1.63 1.56 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 67 N 8.84 4.71 0.00 2.72 2.72 0.00 0.00 7.21 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 I 8.47 3.81 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.91 0.89 0.00 0.00 69 N 8.35 4.40 0.00 2.73 2.97 0.00 0.00 7.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 S 8.23 4.02 0.00 4.08 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *72 K 8.09 4.39 0.00 1.78 2.00 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.58 7.81 73 E 8.16 3.92 0.00 2.16 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 74 L 7.96 4.01 0.00 1.63 1.56 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 75 A 7.76 3.98 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 G 9.18 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.35 4.67 0.00 1.82 1.83 0.00 1.75 0.00 0.00 1.86 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.49 7.81 78 P 0.00 4.54 0.00 2.08 1.97 0.00 3.77 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 79 V 8.15 5.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.87 0.00 0.00 80 R 8.66 4.66 0.00 1.85 1.99 0.00 2.78 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 81 L 8.39 4.60 0.00 1.56 1.64 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 82 A 8.65 4.32 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 R 9.67 4.16 0.00 2.01 1.86 0.00 3.16 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 84 A 8.76 4.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 N 8.12 4.36 0.00 2.93 3.09 0.00 0.00 6.27 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.01 4.16 0.00 2.30 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 87 V 8.01 3.58 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.98 0.00 0.00 88 V 7.59 3.93 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 1.05 0.00 0.00 89 E 7.99 3.89 0.00 2.05 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 90 L 8.26 4.23 0.00 1.69 1.72 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 91 T 7.90 4.52 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 92 G 8.45 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 Y 7.70 4.83 0.00 3.08 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 4.45 0.00 2.44 2.21 0.00 4.06 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.01 0.00 95 V 8.51 3.46 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.95 0.00 0.00 96 G 8.83 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 G 8.68 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.89 3.65 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.05 0.00 0.00 99 P 0.00 5.01 0.00 1.92 1.68 0.00 2.63 0.00 0.00 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.50 0.00 100 P 0.00 4.40 0.00 1.81 1.93 0.00 3.32 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.04 0.00 101 V 6.25 3.90 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.27 0.00 0.00 102 A 7.71 3.74 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 6.89 4.76 0.00 1.69 1.64 0.85 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 104 P 0.00 4.38 0.00 2.28 1.98 0.00 3.65 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.09 0.00 105 P 0.00 4.46 0.00 2.18 2.21 0.00 3.77 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 106 N 7.94 4.47 0.00 2.80 2.96 0.00 0.00 6.13 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 7.44 4.09 1.95 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.52 0.94 0.00 0.00 108 V 8.49 4.03 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.80 0.00 0.00 109 L 8.50 4.96 0.00 1.81 1.53 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 110 V 8.99 4.91 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.02 0.00 0.00 111 V 8.75 4.68 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.97 0.00 0.00 112 D 8.98 5.08 0.00 2.76 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 R 9.10 4.02 0.00 2.03 2.18 0.00 2.83 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 114 I 8.30 3.70 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.80 0.95 0.00 0.00 115 L 7.98 4.25 0.00 1.85 1.61 0.96 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.80 4.05 0.00 1.75 1.74 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.92 4.26 0.00 3.96 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 R 7.54 4.17 0.00 1.74 1.87 0.00 3.25 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 119 K 8.60 4.10 0.00 1.81 1.80 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.50 1.40 7.81 120 K 7.54 4.49 0.00 1.53 1.45 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.65 0.98 7.81 121 V 7.87 4.27 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 -0.28 0.00 0.00 122 Y 8.93 4.82 0.00 2.88 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 G 9.15 4.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.13 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 G 8.70 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 G 9.19 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 R 7.55 4.82 0.00 1.89 1.80 0.00 3.35 0.00 0.00 3.41 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 128 E 8.94 4.01 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.27 0.00 129 N 8.21 4.92 0.00 2.86 3.03 0.00 0.00 5.93 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.04 5.07 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 L 9.12 5.18 0.00 1.61 1.68 0.88 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 132 L 8.92 4.93 0.00 1.72 1.56 1.16 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 133 E 9.51 4.70 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.88 0.00 134 F 8.20 4.39 0.00 1.51 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 S 7.82 4.82 0.00 4.04 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.41 0.00 2.21 2.06 0.00 3.64 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.78 0.00 137 R 8.00 3.99 0.00 1.91 2.04 0.00 3.14 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.86 0.00 138 E 8.48 4.16 0.00 2.77 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 139 L 8.50 4.47 0.00 1.88 2.09 0.87 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 140 V 8.16 3.65 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.06 0.00 0.00 141 E 8.38 3.96 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 142 A 8.43 4.22 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 T 7.81 4.62 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 144 G 8.29 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 A 7.58 4.26 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 V 8.37 3.81 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.99 0.00 0.00 147 V 8.42 4.75 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.96 0.00 0.00 148 A 8.79 4.62 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 D 8.64 4.91 0.00 2.55 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 V 9.20 4.61 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.92 0.00 0.00 151 S 8.21 5.37 0.00 3.81 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 E 8.85 4.30 0.00 1.92 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.